General Information of the Compound
| Compound ID |
CP0964690
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| Compound Name |
2-(5-methyl-4-(4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl)-1H-pyrazol-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C17H18F3N7O2
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| Molecular Weight |
409.372
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nc2[nH]ccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H18F3N7O2/c1-10-12(15(29)26-6-4-25(5-7-26)9-17(18,19)20)8-22-27(10)16-23-13-11(2-3-21-13)14(28)24-16/h2-3,8H,4-7,9H2,1H3,(H2,21,23,24,28)
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| InChIKey |
CSKGADMPUGQDEH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound